2-butanoyl-3-chloranyl-5-(thian-3-yl)cyclohex-2-en-1-one

Systemtic Name: 2-butanoyl-3-chloranyl-5-(thian-3-yl)cyclohex-2-en-1-one Openeye Name: 2-butanoyl-3-chloro-5-tetrahydrothiopyran-3-yl-cyclohex-2-en-1-one CAS Name: 3-chloro-2-(1-oxobutyl)-5-(3-thianyl)-1-cyclohex-2-enone IUPAC Name: 2-butanoyl-3-chloro-5-(thian-3-yl)cyclohex-2-en-1-one Traditional Name: 2-butyryl-3-chloro-5-tetrahydrothiopyran-3-yl-cyclohex-2-en-1-one Formula: C15H21ClO2S MolecularWeight: 300.84404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(CC1=O)C2CCCSC2)Cl

Isomeric SMILES

CCCC(=O)C1=C(CC(CC1=O)C2CCCSC2)Cl

InChI

InChI=1S/C15H21ClO2S/c1-2-4-13(17)15-12(16)7-11(8-14(15)18)10-5-3-6-19-9-10/h10-11H,2-9H2,1H3